NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6756 8.4249 119.1964 53.7311 39.9664 172.7660 3 E 3.9135 9.0017 118.3612 56.8826 32.2497 175.9842 4 Q 4.0485 8.1876 120.8220 58.0917 30.9266 177.5528 5 A 4.6428 8.0948 120.9409 54.2821 18.8852 179.0291 6 I 3.8440 7.9029 117.9152 64.7831 37.0720 178.3486 7 L 4.2108 8.1110 118.9641 58.2326 41.4353 179.1182 8 Q 3.7734 7.8568 116.4736 59.4262 28.6613 179.9976 9 S 4.2604 8.5045 115.6482 61.6338 63.0003 176.5154 10 A 3.9827 8.2833 123.0257 55.1973 17.9886 179.1179 11 E 3.9758 9.0213 117.0830 58.7285 29.7485 178.2660 12 A 4.2664 7.3770 120.4236 54.1360 19.6453 178.9120 13 W 4.2679 8.0584 126.7413 60.8609 30.6793 178.3682 14 V 3.4192 7.7443 116.1338 64.9485 30.8765 177.1799 15 K 3.5713 7.5177 118.2804 58.4481 32.7265 178.2140 16 K 4.0208 8.2044 119.4307 60.3500 32.5313 179.2189 17 Q 4.3475 7.9877 119.9153 56.7352 29.6592 177.4819 18 L 4.3628 7.1534 120.5812 53.9207 40.7914 176.5430 *20 D 4.5803 7.5684 111.9928 53.2450 42.6844 177.6749 21 E 4.0543 8.7590 119.1929 58.4193 28.3403 176.8583 *26 D 4.6950 8.9503 125.7752 54.7835 44.0729 176.2541 27 W 4.3518 8.1142 127.6331 60.3643 30.7739 177.3927 28 Y 3.5474 8.1042 116.3796 61.3010 37.1978 178.0354 29 H 4.0172 7.7280 119.1445 59.5316 29.9996 177.3017 30 I 3.4855 7.3646 120.8634 64.1975 36.7486 178.1329 31 R 3.2206 7.0045 119.9066 59.0274 29.6697 178.6824 32 R 3.8088 7.9265 115.9150 59.2724 29.4740 178.7607 33 V 3.5987 7.6405 119.2900 64.6437 31.4616 178.4178 34 T 3.9457 7.4183 115.7520 66.3263 68.3413 176.9514 35 L 3.9129 7.7564 118.1041 56.0881 42.1508 178.7937 *37 A 4.1652 7.9201 124.1701 52.0886 19.9837 178.8873 38 K 4.0492 7.5585 116.6948 58.3277 31.9762 178.4617 39 A 3.9469 8.4181 120.3698 55.8764 18.3235 179.8237 40 I 3.7839 7.8770 117.2008 64.2950 37.2214 178.6396 41 G 3.7936 8.5766 108.6862 47.1784 0.0000 175.3069 42 E 4.2405 8.0324 119.2801 57.5360 29.7595 178.3139 43 Q 4.0562 7.7878 120.3898 58.5194 29.1559 176.4585 44 E 4.4176 7.6500 116.9937 54.5784 30.3059 176.0977 45 K 3.7795 7.3901 117.0862 57.6722 30.2933 174.4018 46 V 4.2655 7.1710 110.1620 59.2634 34.1494 176.9290 47 D 4.5863 9.8064 121.5414 54.4487 38.8673 176.6414 48 V 3.7989 8.2152 124.6234 64.9635 31.5010 176.3474 49 F 4.7459 8.3979 121.2180 61.1533 39.2533 177.0462 50 V 3.2929 7.9910 118.1604 64.9702 30.9908 178.5329 51 V 3.5143 7.5792 119.4973 64.5292 31.1029 178.4088 52 Q 3.9089 7.6283 117.2750 58.6591 28.4787 178.7860 53 I 3.4699 7.8393 120.7548 64.1596 37.0248 178.0697 54 A 3.9543 8.5702 121.7581 55.2783 17.9881 179.1436 55 A 3.8496 7.9246 118.0373 55.6230 18.4507 179.4598 56 L 3.7451 7.3468 115.6346 57.3970 41.8779 179.0145 57 F 4.7178 7.4411 115.6687 57.5965 39.2452 177.4237 58 H 4.0662 8.2367 115.9079 59.2265 27.9151 176.0682 59 D 4.1361 7.7335 121.3281 56.1282 41.1269 175.6259 60 L 4.2851 6.8643 124.4190 56.4282 39.0999 175.2528 61 I 4.4506 7.6174 125.0488 62.2670 44.7049 174.7333 62 D 4.7461 7.3627 119.8227 51.7569 41.9667 176.2976 *70 E 4.3236 7.8283 124.5409 55.5345 30.6654 178.8879 71 T 3.8313 8.7813 107.6218 65.3610 66.7818 175.5431 72 A 3.9405 7.7721 121.0640 55.0004 18.4252 179.4566 73 K 3.7662 7.9379 117.4492 59.6630 32.3831 178.2602 74 Q 3.9384 8.0780 119.8120 59.5564 28.7969 178.1571 75 Q 4.0505 8.4838 120.6525 59.4014 28.7182 179.1561 76 L 4.0968 7.0907 118.7266 57.7044 42.0861 178.5436 77 I 3.7988 7.6493 117.0667 64.5466 37.9305 177.0925 78 D 4.5726 8.7774 120.1744 56.4438 40.2181 178.1562 79 W 3.8935 7.9613 128.3176 58.8039 31.7676 177.4515 *81 E 4.2948 8.2633 117.9302 55.9678 30.6904 177.1244 82 A 4.0997 7.8951 118.4966 52.6633 18.3364 177.3789 83 A 4.1885 7.1351 115.0612 51.4500 19.9667 178.1732 84 G 3.8332 7.8970 103.9752 45.0883 0.0000 173.9847 85 V 3.7587 7.6139 119.7303 61.7248 31.8917 174.5539 86 P 4.3616 0.0000 0.0000 63.0911 32.6310 176.8393 87 S 4.1209 8.8420 116.4330 62.1385 62.3805 176.9967 88 Q 3.9932 8.0122 119.6946 58.5385 28.7867 178.5398 89 K 4.1449 8.0655 118.7460 59.6754 32.2671 178.8277 90 I 3.6212 8.1740 118.9983 64.4851 37.6790 177.1160 91 D 4.6520 8.4585 117.5612 56.0261 40.8472 176.9039 92 H 4.7872 8.5496 118.2947 57.4760 31.0140 176.1288 93 T 3.7687 7.2069 114.2177 65.4275 67.8491 174.9532 *95 D 4.5217 7.8676 120.5577 53.8768 42.9206 175.9450 96 I 4.0480 7.5889 117.5276 62.5182 38.5384 176.5553 97 I 3.8465 7.9626 120.7257 64.6456 37.0203 176.8723 98 N 4.4315 8.1005 115.9596 56.2746 37.8476 176.5100 99 T 4.2201 8.3186 110.8867 60.4292 66.3513 174.9599 100 I 4.1909 6.9939 121.4524 59.9979 39.1832 174.0217 *111 A 4.4264 8.2307 127.7451 51.3200 20.1223 176.7052 112 T 4.7721 7.1505 109.4953 61.9499 72.9719 175.5874 113 R 3.9514 8.7022 122.5702 59.6710 30.5313 178.4523 114 E 4.0342 8.3747 116.6526 59.4529 29.6822 179.2650 115 A 4.2805 7.5726 119.1143 52.6361 18.0562 179.3711 *117 V 3.9540 7.9589 120.5100 64.5086 33.3575 177.8961 118 V 3.5821 7.5261 118.2916 65.7861 31.1644 177.9528 119 Q 3.9322 8.3080 118.2678 59.0171 28.2722 178.6120 120 D 4.2267 7.9949 118.8821 57.4276 40.8089 178.2021 121 A 4.0052 7.6946 119.7481 55.4589 18.4277 179.0191 122 D 4.2956 7.8499 115.9076 57.4758 41.5286 178.6074 123 R 4.0612 7.9367 116.1061 58.4467 29.2015 177.8551 124 L 4.1495 9.0408 121.5824 56.7324 41.8990 176.9770 125 D 4.4508 7.5247 115.6247 55.0920 41.3350 176.1326 126 A 4.2061 7.9531 121.0722 53.5867 19.3420 177.1028 127 L 4.4464 7.2898 115.0394 53.1451 44.2746 175.9160 128 G 3.9350 8.6355 105.2319 44.5865 0.0000 173.9221 129 A 4.2874 8.9011 119.2571 55.3998 18.2428 179.8212 130 I 3.7441 7.8886 111.2058 64.1799 37.5496 178.4664 131 G 3.6404 7.8527 108.3205 46.8750 0.0000 175.5267 132 I 3.7069 8.2014 122.4648 63.9804 37.1140 178.3366 133 A 4.0348 8.2340 121.7739 55.4024 18.3484 179.6702 134 R 3.7629 8.4040 117.3150 59.7972 29.8841 178.7045 135 T 3.4442 7.4700 115.7767 66.3700 68.5864 176.7691 136 F 4.2219 7.7983 119.0451 60.2098 38.8867 177.8815 137 A 4.0585 8.1126 120.8326 55.5705 18.3686 179.1682 138 Y 4.1658 8.1684 115.1368 61.3579 37.9329 179.2872 139 S 4.2847 8.4770 116.3236 61.6930 62.4940 177.0380 140 G 3.6951 8.0385 107.9082 47.7395 0.0000 175.2989 141 N 4.3737 7.9369 118.6493 56.3585 39.0920 176.9296 142 K 4.1388 8.4111 119.0224 56.9064 32.2474 177.2873 143 G 3.8221 7.6639 106.5257 46.6470 0.0000 173.2602 144 Q 4.7311 7.6700 116.3369 52.6265 31.6097 173.3106 145 P 4.5359 0.0000 0.0000 62.5137 32.4885 177.4575 146 I 4.0030 8.6831 122.2317 64.7136 37.3935 175.4766 147 Y 4.8811 7.4402 116.3532 56.7033 40.9249 172.7367 148 D 4.1979 7.4087 124.4991 51.4209 43.6227 174.3987 149 P 4.0770 0.0000 0.0000 65.0708 31.6711 177.3178 150 E 4.0735 8.4592 118.8263 58.2663 29.8412 176.7611 151 L 3.9691 7.4867 120.4764 54.1625 42.1388 174.8840 152 P 4.5018 0.0000 0.0000 61.9894 32.2678 175.7815 153 I 4.1692 7.9038 120.4184 61.4478 38.4448 175.4480 154 R 4.2256 7.7705 120.7823 55.7030 31.3996 174.8086 *158 T 4.2712 7.9783 108.1722 62.9368 71.1357 175.6785 159 V 3.7216 7.5591 120.9820 64.9487 32.2223 178.0323 160 E 4.2066 8.1055 115.2113 56.8433 29.3497 177.4733 161 E 3.6035 6.9787 117.6152 59.3684 28.2194 176.3039 162 Y 4.8049 8.0164 115.8403 57.9720 39.7496 177.6832 163 R 4.1014 8.0289 119.7946 58.9500 30.6083 174.8139 164 H 4.4887 7.9960 117.3447 56.8228 36.1303 171.9071 165 G 3.8958 8.2408 110.6352 44.8955 0.0000 171.9675 166 K 3.9932 8.3983 124.7693 56.4107 32.0231 176.4371 167 S 4.9081 8.3624 120.0276 56.3113 65.3287 173.0794 168 T 4.8543 7.8829 108.6073 58.9476 72.6301 173.8076 169 A 3.6674 7.8872 123.9010 55.7672 18.6419 179.9083 170 I 3.8650 7.6435 117.0928 64.8616 37.1982 178.4548 171 N 4.4759 8.4981 117.3819 56.6069 38.3659 176.8616 172 H 3.9370 8.3907 119.7158 58.7386 29.7127 177.4106 173 F 3.6784 7.7560 119.9690 60.4852 38.4628 176.8142 174 Y 4.6779 7.5376 113.4584 59.7032 38.0658 176.8867 175 E 4.3050 8.1720 119.4946 57.4546 30.0788 176.0580 176 K 4.2772 7.5686 116.0606 57.9537 34.1515 176.9258 177 L 4.0338 7.6594 117.9321 58.1482 41.6402 179.3311 178 F 4.6421 8.4683 116.4927 59.1889 39.3297 175.8173 179 K 4.8061 7.8434 119.9500 56.6420 32.8459 176.6066 180 L 4.5419 7.7268 119.7662 57.0687 44.0412 179.3109 181 K 3.8723 8.2326 116.6334 59.8673 32.2737 177.8773 182 D 4.4209 8.1437 117.1925 57.4611 41.4981 177.4414 183 L 4.1625 7.2569 117.8915 55.1301 39.4278 176.6237 *185 N 4.7209 7.4270 117.7099 53.3845 41.4935 175.7283 186 T 3.9846 9.2338 115.7345 63.8516 69.7766 175.3915 187 E 3.9529 8.9739 125.1303 60.1337 29.5943 180.0272 188 T 4.0530 7.7716 115.2081 66.0689 68.3189 177.0031 189 G 3.6151 7.9341 108.1041 47.8982 0.0000 175.8279 190 K 3.9800 8.0478 121.1816 59.0049 32.1351 178.5795 191 Q 3.9466 7.8660 119.2170 59.5845 28.9095 178.7551 192 L 3.9655 8.2003 119.2231 57.8243 41.7300 179.4725 193 A 4.0613 8.4426 121.0211 54.8007 18.1736 179.7731 194 K 3.8679 8.1170 118.3949 59.8196 32.2335 178.8075 195 E 4.0268 7.8778 117.6221 58.8684 29.2691 178.8485 196 R 4.1800 8.0258 118.3959 59.4675 30.1754 177.8965 197 H 4.2025 8.1678 116.6184 59.5784 29.9245 177.2191 198 V 3.7184 7.8587 113.8592 64.2675 31.3369 179.0041 199 F 4.4197 7.7222 117.9034 59.1693 39.3777 176.4147 *201 E 4.2209 8.2483 120.5001 55.9156 31.5101 178.0056 202 Q 3.9223 8.7240 120.1344 59.0748 29.0095 178.2272 203 F 3.8505 8.3039 122.2464 61.1959 39.3914 177.3301 204 I 3.7537 7.7604 111.9827 63.5234 37.1752 177.4944 205 E 4.0148 7.9870 121.1140 58.9813 29.4871 178.3905 206 R 3.9409 7.6980 119.5309 58.4495 30.0460 178.3579 207 F 3.8976 8.1983 121.2799 60.8251 39.2919 177.2409 208 L 4.1113 7.8825 120.0135 58.8869 40.3082 179.2140 209 S 4.1248 8.3357 115.5941 61.3442 62.4915 176.4665 210 E 3.8992 7.7436 121.1772 58.7251 29.2488 178.7082 211 W 3.9243 7.9024 127.7623 59.9279 31.2187 176.8315 212 N 5.3064 8.9432 122.7451 53.1418 37.7839 175.3979 213 G 3.7123 8.7147 118.6281 46.6426 0.0000 172.1494 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.42 4.68 0.00 2.67 2.77 0.00 0.00 6.77 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.00 3.91 0.00 1.79 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 4 Q 8.19 4.05 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.59 2.36 0.00 5 A 8.09 4.64 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.90 3.84 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.98 1.34 0.00 0.00 7 L 8.11 4.21 0.00 2.01 1.84 1.09 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.86 3.77 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 9 S 8.50 4.26 0.00 4.61 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.28 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 9.02 3.98 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 12 A 7.38 4.27 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.06 4.27 0.00 3.35 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.74 3.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.60 0.00 0.00 15 K 7.52 3.57 0.00 0.98 1.47 0.00 0.95 0.00 0.00 1.25 0.00 0.00 2.57 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.50 0.21 7.81 16 K 8.20 4.02 0.00 2.06 2.02 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.92 7.81 17 Q 7.99 4.35 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.55 0.00 0.00 0.00 0.00 0.00 2.68 2.76 0.00 18 L 7.15 4.36 0.00 1.99 1.72 1.19 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *20 D 7.57 4.58 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.76 4.05 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 *26 D 8.95 4.69 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 W 8.11 4.35 0.00 3.42 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.10 3.55 0.00 3.11 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.73 4.02 0.00 3.39 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.36 3.49 1.63 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 0.61 0.00 0.00 31 R 7.00 3.22 0.00 0.67 1.53 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 32 R 7.93 3.81 0.00 1.88 1.98 0.00 3.29 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 33 V 7.64 3.60 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.86 0.00 0.00 34 T 7.42 3.95 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 35 L 7.76 3.91 0.00 1.79 1.65 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *37 A 7.92 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.56 4.05 0.00 1.83 1.90 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.55 7.81 39 A 8.42 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.88 3.78 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.76 0.90 0.00 0.00 41 G 8.58 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.03 4.24 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.36 0.00 43 Q 7.79 4.06 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.19 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 44 E 7.65 4.42 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 45 K 7.39 3.78 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.44 7.81 46 V 7.17 4.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.00 0.00 0.00 47 D 9.81 4.59 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.22 3.80 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.04 0.00 0.00 49 F 8.40 4.75 0.00 2.97 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.99 3.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.75 0.00 0.00 51 V 7.58 3.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.90 0.00 0.00 52 Q 7.63 3.91 0.00 2.46 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 53 I 7.84 3.47 1.60 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.90 1.10 0.00 0.00 54 A 8.57 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.92 3.85 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.35 3.75 0.00 1.00 0.76 0.67 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.44 4.72 0.00 2.93 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.24 4.07 0.00 3.20 3.74 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.73 4.14 0.00 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0.00 0.00 7.22 6.42 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 75 Q 8.48 4.05 0.00 2.26 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.85 2.71 0.00 76 L 7.09 4.10 0.00 1.62 1.26 0.47 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.65 3.80 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.03 1.01 0.00 0.00 78 D 8.78 4.57 0.00 3.01 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 7.96 3.89 0.00 3.36 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 E 8.26 4.29 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 82 A 7.90 4.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.14 4.19 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 146 I 8.68 4.00 2.26 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 1.22 0.00 0.00 147 Y 7.44 4.88 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 7.41 4.20 0.00 2.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.08 0.00 2.22 2.11 0.00 3.56 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 150 E 8.46 4.07 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 151 L 7.49 3.97 0.00 1.55 1.50 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.50 0.00 2.20 2.01 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 153 I 7.90 4.17 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.95 0.00 0.00 154 R 7.77 4.23 0.00 1.87 1.68 0.00 3.20 0.00 0.00 3.25 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 *158 T 7.98 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 159 V 7.56 3.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 160 E 8.11 4.21 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 161 E 6.98 3.60 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 162 Y 8.02 4.80 0.00 3.03 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 R 8.03 4.10 0.00 1.85 2.11 0.00 3.28 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 164 H 8.00 4.49 0.00 3.06 3.24 0.00 6.04 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.24 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.40 3.99 0.00 1.75 1.80 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.44 7.81 167 S 8.36 4.91 0.00 3.71 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 7.88 4.85 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 169 A 7.89 3.67 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.64 3.86 2.17 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.44 0.92 0.00 0.00 171 N 8.50 4.48 0.00 2.91 2.88 0.00 0.00 6.70 8.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 H 8.39 3.94 0.00 3.04 3.05 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.76 3.68 0.00 2.79 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 Y 7.54 4.68 0.00 3.04 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.17 4.31 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 176 K 7.57 4.28 0.00 1.31 1.51 0.00 1.61 0.00 0.00 1.53 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.32 7.81 177 L 7.66 4.03 0.00 1.58 1.71 0.59 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 178 F 8.47 4.64 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 7.84 4.81 0.00 1.88 1.89 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.37 7.81 180 L 7.73 4.54 0.00 1.77 1.70 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 181 K 8.23 3.87 0.00 1.71 1.92 0.00 1.49 0.00 0.00 1.27 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.68 7.81 182 D 8.14 4.42 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.26 4.16 0.00 1.81 1.66 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 *185 N 7.43 4.72 0.00 2.97 2.85 0.00 0.00 7.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 T 9.23 3.98 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 187 E 8.97 3.95 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 188 T 7.77 4.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 189 G 7.93 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 K 8.05 3.98 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.65 7.81 191 Q 7.87 3.95 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 192 L 8.20 3.97 0.00 1.73 1.69 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.44 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 8.12 3.87 0.00 2.01 2.03 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 195 E 7.88 4.03 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 196 R 8.03 4.18 0.00 2.12 2.03 0.00 3.40 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 197 H 8.17 4.20 0.00 3.25 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 V 7.86 3.72 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.02 0.00 0.00 199 F 7.72 4.42 0.00 3.05 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *201 E 8.25 4.22 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 202 Q 8.72 3.92 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 203 F 8.30 3.85 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 I 7.76 3.75 1.74 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.26 0.00 0.00 205 E 7.99 4.01 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 206 R 7.70 3.94 0.00 1.97 1.82 0.00 3.18 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 207 F 8.20 3.90 0.00 2.78 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 L 7.88 4.11 0.00 1.97 1.92 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 209 S 8.34 4.12 0.00 4.05 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 E 7.74 3.90 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 211 W 7.90 3.92 0.00 3.32 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 N 8.94 5.31 0.00 2.87 2.29 0.00 0.00 6.78 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 G 8.71 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.